1-(4-cyclobutyloxyphenyl)-N-methylethanamine

C13H19NO — CID 62139894

IUPAC1-(4-cyclobutyloxyphenyl)-N-methylethanamine
SMILESCNC(C)c1ccc(OC2CCC2)cc1
InChIInChI=1S/C13H19NO/c1-10(14-2)11-6-8-13(9-7-11)15-12-4-3-5-12/h6-10,12,14H,3-5H2,1-2H3
InChIKeyBBKSCEMPVSPTGR-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.90
Rot. Bonds4

About 1-(4-cyclobutyloxyphenyl)-N-methylethanamine

1-(4-cyclobutyloxyphenyl)-N-methylethanamine (PubChem CID 62139894) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-(4-cyclobutyloxyphenyl)-N-methylethanamine.

Molecular Properties

Compound Name1-(4-cyclobutyloxyphenyl)-N-methylethanamine
PubChem CID62139894
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name1-(4-cyclobutyloxyphenyl)-N-methylethanamine
SMILESCNC(C)c1ccc(OC2CCC2)cc1
InChIInChI=1S/C13H19NO/c1-10(14-2)11-6-8-13(9-7-11)15-12-4-3-5-12/h6-10,12,14H,3-5H2,1-2H3
InChIKeyBBKSCEMPVSPTGR-UHFFFAOYSA-N
XLogP2.90
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(4-cyclopentyloxyphenyl)-N-methylethanamine
CID 93007238
(1S)-1-(4-cyclopentyloxyphenyl)-N-ethylethanamine
CID 93007263
1-cyclopentyloxy-4-propan-2-ylbenzene
CID 10442918
N-[(1R)-1-(4-cyclopentyloxyphenyl)ethyl]-2-methylpropan-1-amine
CID 100558124
N-methyl-1-[4-(6-oxaspiro[4.5]decan-9-yloxy)phenyl]ethanamine
CID 79899854
1-cyclobutyl-1-(4-cyclopropyloxyphenyl)-N-methylmethanamine
CID 114519446
1-(4-cyclopentyloxyphenyl)ethanamine;hydrochloride
CID 155890234
2-(4-cyclopentyloxyphenyl)-2-(methylamino)acetic acid
CID 82480584
(1R)-1-(3-cyclopentyloxy-4-fluorophenyl)-N-methylethanamine
CID 142399949
1-[4-(2-bicyclo[2.2.1]heptanyloxy)phenyl]-N-methylethanamine
CID 114245402
N-methyl-N-[4-[1-(methylamino)ethyl]phenyl]cycloheptanamine
CID 43614157
1-(4-cyclopropyloxyphenyl)-2-methoxy-N,3-dimethylbutan-1-amine
CID 114519800

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclobutyloxyphenyl)-N-methylethanamine?
The IUPAC name of 1-(4-cyclobutyloxyphenyl)-N-methylethanamine (CID 62139894) is 1-(4-cyclobutyloxyphenyl)-N-methylethanamine.
What is the SMILES notation for 1-(4-cyclobutyloxyphenyl)-N-methylethanamine?
The canonical SMILES for 1-(4-cyclobutyloxyphenyl)-N-methylethanamine is CNC(C)c1ccc(OC2CCC2)cc1.
What is the InChIKey of 1-(4-cyclobutyloxyphenyl)-N-methylethanamine?
The InChIKey is BBKSCEMPVSPTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-10(14-2)11-6-8-13(9-7-11)15-12-4-3-5-12/h6-10,12,14H,3-5H2,1-2H3.
What are the key properties of 1-(4-cyclobutyloxyphenyl)-N-methylethanamine?
1-(4-cyclobutyloxyphenyl)-N-methylethanamine has a molecular weight of 205.30 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclobutyloxyphenyl)-N-methylethanamine is sourced from PubChem (CID 62139894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).